Mona Morovat; Omid Bakhtiari
Abstract
Ability and compatibility of the membrane processes for gas separation are evaluated by their membranes’ permeability and selectivity where both have been tried to enhance in promising membrane generation of mixed matrix membranes (MMMs). In the current study, two- and three-dimensional models ...
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Ability and compatibility of the membrane processes for gas separation are evaluated by their membranes’ permeability and selectivity where both have been tried to enhance in promising membrane generation of mixed matrix membranes (MMMs). In the current study, two- and three-dimensional models were constructed for MMMs, and the Fick's first law was solved numerically in them by using the Finite Element Method (FEM) and Computational Fluid Dynamic (CFD) tools. The effects of different MMMs structural parameters such as the volume fraction, size and mode of packing, i.e., regular or random, of the filler particles were investigated on the effective permeability of the pure gaseous penetrants through the MMMs. Furthermore, the interfacial equilibrium constant of the penetrants and their diffusivity ratios were also evaluated in view point of their impacts on the MMMs’ separation performance. Some well-known established models including Maxwell, Bruggeman, Lewis - Nielsen, Pal, and Chiew - Glandt were applied in the modeling. Deviation of the simulation results from the experimentally measured ones were low enough, however, at higher loadings of the filler particles the simulation deviation became greater. Simulated results through PSF - MCM-41 MMMs were compared with those of experimentally measured ones and AAREs of 31.0 (The lowest deviation), 42.7, and 41.0 % obtained for CO2, O2, and N2, respectively.
Samaneh Faramarzi; Amirhossein Oudi; Sara Azimi; Yegane Davoodbeygi
Abstract
Methanol is an important industrial chemical, and its synthesis and purification units are among the most widely used processes in the field of energy. The two-column separation unit of methanol has been analyzed from the thermodynamic and energy points of view in the present study. The simulation has ...
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Methanol is an important industrial chemical, and its synthesis and purification units are among the most widely used processes in the field of energy. The two-column separation unit of methanol has been analyzed from the thermodynamic and energy points of view in the present study. The simulation has been done by Aspen Hysys V11 and the SRK equation has been regarded as the most appropriate equation of state (EOS) for this simulation with the mean relative error (MRE) of 2 %. Then, the design of the heat exchanger network (HEN) has been calculated using the Aspen Energy Analyzer V11. Both distillation towers have been analyzed using pinch technology. As a result, the amount of hot and cold utilities used has been LP=1.482×〖10〗^8, MP=1.57×〖10〗^4, and Air =1.423×〖10〗^8, respectively. Besides, the total heating and cooling target of the process has been 1.482×〖10〗^8 and 1.423×〖10〗^8, accordingly. Then, the 〖∆T〗_min (minimum allowable temperature difference between hot and cold currents) and its effect on the annual cost have been investigated. The optimum value 〖∆T〗_min is determined to have better-operating conditions and to meet the design of the HEN economically. Reducing 〖∆T〗_min increases operating costs and reduces energy costs.
Modeling and Simulation
Amirhossein Oudi; Abdullah Irankhah
Abstract
Optimization of the ammonia synthesis unit to increase ammonia production is studied in this line of research. In this paper, the steady-state ammonia synthesis is simulated using Aspen HysysV.11 software, by comparing the simulation results with industrial information, a mean relative error of 7.71% ...
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Optimization of the ammonia synthesis unit to increase ammonia production is studied in this line of research. In this paper, the steady-state ammonia synthesis is simulated using Aspen HysysV.11 software, by comparing the simulation results with industrial information, a mean relative error of 7.71% was obtained, which indicates the high accuracy of the simulation. Then, four effective variables were selected from 11 independent variables by the Plackett-Burman method. The effects of the Hydrogen flow in the feed stream, the Recycle stream pressure, Feed stream temperature, and Input third reactor temperature were simulated, and the response surface design method of central composite design was performed to optimize. It is obtained that the Hydrogen flow in the feed stream is equal to 6255 kmol/hr, feed stream pressure was equal to 205 bar, the temperature of excess stream inlet in the first reactor was equal to 663 K, and the temperature of stream inlet the second reactor to 677.5 K which increased to 7.5% ammonia production.
Polymer Engineering and Technology,
F. Ader; E. Sharifzadeh
Abstract
In this study, the main purpose has been to investigate the behavior of the nanoparticles with different structures and similar based materials in polymer nanocomposites. To this end, different samples, containing PS as the matrix, and layered graphene oxide (GO) and/or hollow graphene oxide nanoparticles ...
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In this study, the main purpose has been to investigate the behavior of the nanoparticles with different structures and similar based materials in polymer nanocomposites. To this end, different samples, containing PS as the matrix, and layered graphene oxide (GO) and/or hollow graphene oxide nanoparticles (HGO), were prepared via the melt mixing process and were subjected to heat conduction and tensile tests. To evaluate all features of the interaction between the polymer phase and the nanoparticles, a thermal/mechanical analytical model was proposed and the results were used to simulate the behavior of specific geometrical structures, corresponding to the real samples, under different thermal/mechanical conditions. The results showed good agreement between the obtained experimental data and simulation/analytical model interpretations. In addition, it was found that the HGO nanoparticle had such a good performance in enhancing the thermal and mechanical properties of the nanocomposite, due to its unique structure.
H. Mohammadnezami; A. Irankhah
Abstract
Micro-reformers used for producing hydrogen with a high surface-to-volume ratio in small-scale fuel cells were investigated. To this end, scrutinizing and exploiting all areas of micro reformers is very important. Parallel micro-channels have shown good performance in eliminating dead volumes. Inlet/outlet ...
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Micro-reformers used for producing hydrogen with a high surface-to-volume ratio in small-scale fuel cells were investigated. To this end, scrutinizing and exploiting all areas of micro reformers is very important. Parallel micro-channels have shown good performance in eliminating dead volumes. Inlet/outlet configuration has great effect on the velocity distribution through micro-channels. In this study, four configurations (1 inlet/1 outlet on the same and opposite sides; 1 inlet/2 outlets on the same and opposite sides) were studied through simulation and 1 inlet/2 outlets on opposite sides were found to have the lowest velocity difference, hence having the best configuration. Simulations were carried out at 600 °C, 1 atm, with S/C=3 and feed flow rate of 100 mL/min. Three channel patterns (i.e., parallel, splitting-jointing and pin-hole) were compared in terms of Figure of Merit (FoM) and specific conversion. Parallel channel design revealed a high value of specific conversion to be about 5.36 , while splitting-jointing and pin-hole were 5.33 and 4.91 , respectively. Based on FoM, pin-hole design had a high value of 1.34 , while the values of splitting-jointing and parallel designs were 0.037 and 1.28 , respectively.
Process Control and Engineering, Process Safety, HSE
Rahbar Rahimi; Shirin Boulaqhi; Amir Ziarifar
Volume 13, Issue 4 , November 2016, , Pages 33-45
Abstract
Simulation of a process and analysis of its resulting data in both dynamic and steady-state conditions are fundamental steps in understanding the process in order to design and efficient control of system as well as implementing operational cost reduction scheme. In the present paper, steady and unsteady ...
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Simulation of a process and analysis of its resulting data in both dynamic and steady-state conditions are fundamental steps in understanding the process in order to design and efficient control of system as well as implementing operational cost reduction scheme. In the present paper, steady and unsteady state simulation of Amir Kabir1, 3 butadiene purification units has been done by using Aspen and Aspen Dynamic software together with the Peng- Robinson equation of state to investigate the system responses to the disturbances. In the unsteady state simulation mode; the flow rates, pressure, temperature and level (FPTL) were controlled by Proportional-Integral-Derivative (PID) controllers in the unit. Finally, transient responses to changes such as feed temperature, feed flow rates, steam flow rates and the duties of the re-boiler of columns in unit were gained. For reaching to purified 1,3 butadiene, sensitivity of the process to the fluctuations of feed temperature and on the duties of the re-boilers of the columns is noticeable .
Modeling and Simulation
R. Rahimi; M. H. Soodmand; M. Zivdar; A. Alborzi; M. Rahmanian
Volume 12, Issue 1 , January 2015, , Pages 60-67
Abstract
The distillation process remains as the most common method ofseparation in chemical process industries. The energy used from this process accounts for an estimated 3% of the world energy consumption. The Dividing-Wall Column (DWC) for separation of multi-component mixtures has recently become a major ...
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The distillation process remains as the most common method ofseparation in chemical process industries. The energy used from this process accounts for an estimated 3% of the world energy consumption. The Dividing-Wall Column (DWC) for separation of multi-component mixtures has recently become a major concern ofindustries. The design ofDWC is based on Thermally Coupled Distillation System (TCDS) eliminating some of the operational equipment. This paper presents the results of simulation of a DWC by using 3-simple sequence column model based on shortcut method by a commercial chemical Engineering software for purification of1,3 butadiene unit. From the results, it is shown, by using a DWC instead of two conventional sequential column, the heat duties ofboth the condenser and the reboiler are reduced about 28.5% and also desirable purity ofthe key-components for the case ofstudy have been achieved.
Modeling and Simulation
Volume 6, Issue 4 , October 2009, , Pages 34-44
Abstract
This paper reports the result of CFD simulation of catalytic oxidation of benzene on monolithic catalyst. The geometries ofthe catalyst and reactor were designed in Gambit software and simulation of catalytic oxidation was carried out in fluent 6.2. Results of simulation showed excellent agreement with ...
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This paper reports the result of CFD simulation of catalytic oxidation of benzene on monolithic catalyst. The geometries ofthe catalyst and reactor were designed in Gambit software and simulation of catalytic oxidation was carried out in fluent 6.2. Results of simulation showed excellent agreement with the experimental data. This study confirmed the accuracy of the used model in this simulation (Mars van Krevelen). Furthermore, CFD made it possible to obtain a more accurate view ofheat transfer and fluid flow. This study confirmed CFD is the best tool for study offluid regime and heat transfer and especially, concentration of species, and surface deposition along the reactor in the chemical process.
Petroleum and Reservoir Engineering
Volume 5, Issue 4 , October 2008, , Pages 3-11
Abstract
Implicit pressure-explicit saturation method (IMPES) is widely used in oil reservoir simulation to study the multiphase flow in porous media. This method has no complexity compared to the fully implicit method, although both of them are based on the finite difference technique. Water coning is one the ...
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Implicit pressure-explicit saturation method (IMPES) is widely used in oil reservoir simulation to study the multiphase flow in porous media. This method has no complexity compared to the fully implicit method, although both of them are based on the finite difference technique. Water coning is one the most important phenomenon that affects the oil production from oil reservoirs having a water drive source. Since the water coning affects final oil recovery, identification of this phenomenon is very important. In order to study this phenomenon, one should determine the critical production rate, the breakthrough time and watercut percentage. The scale of the problem hinders the numerical simulations, IMPES included, for a long running time. A corrected IMPES method is used here to overcome the long running time problem by choosing larger the time step for the coning problem. A water-oil phase flow system in the cylindrical coordinate that is commonly used to simulate water coning phenomenon is solved by the corrected IMPES method. The validity of the model is checked against Aziz and Settari’s model, which is based on a complicated fully implicit method. The effects of the production rate and the thickness of the oil zone on the breakthrough time have been investigated. The results were found to be in good agreement with the results of previous studies.
Modeling and Simulation
Volume 2, Issue 1 , January 2005, , Pages 31-54
Abstract
General modeling and optimization of syngas production via noncatalytic autothermal partial oxidation of methane are carried out using our developed scientific software which was based on the minimization of total Gibbs energy. In this work, a novel application of the direct search and Newton-Raphson ...
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General modeling and optimization of syngas production via noncatalytic autothermal partial oxidation of methane are carried out using our developed scientific software which was based on the minimization of total Gibbs energy. In this work, a novel application of the direct search and Newton-Raphson methods was introduced to apply to optimization of a complex chemical reaction. Sensitivity analysis was done to investigate the effect of several parameters on the quality of syngas and the production yield. The acceptable concentrations of CO2 and H2O injected into the methane feed are optimized in the specified temperature and pressure range, while H2/CO ratio in the product stream is set to remain at 1.5 or 2, methane slip in the syngas is less than 1.5% and the non-endothermic conversion area of reaction prevail, simultaneously. This facilitates monetizing CO2 in the petrochemical and steel industries. The output from this software is comparable both with the experimental results, cited in Ref [1] , and with that from ASPEN PLUS in simulating the experiments mentioned in Ref [2]